N-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine

C18H29NO2 — CID 107294645

IUPACN-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCOCCc1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C18H29NO2/c1-17(2,3)19-9-11-20-10-8-14-6-7-16-15(12-14)18(4,5)13-21-16/h6-7,12,19H,8-11,13H2,1-5H3
InChIKeyMCRFAHXRBCNTFI-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.30
Rot. Bonds6

About N-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine

N-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine (PubChem CID 107294645) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine
PubChem CID107294645
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCOCCc1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C18H29NO2/c1-17(2,3)19-9-11-20-10-8-14-6-7-16-15(12-14)18(4,5)13-21-16/h6-7,12,19H,8-11,13H2,1-5H3
InChIKeyMCRFAHXRBCNTFI-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-ethylbutan-1-amine
CID 107294643
2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine
CID 82604219
N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine
CID 65302866
4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(2-methylpropyl)butan-1-amine
CID 107294634
N-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylpentyl]cyclopropanamine
CID 107294650
2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine
CID 66259222
[4-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethyl]-2-(methoxymethoxy)phenyl]methanol
CID 58047430
methyl 3,3-dimethyl-2H-1-benzofuran-5-carboxylate
CID 118098434
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
6-[3-(tert-butylamino)propyl]-4H-1,4-benzoxazin-3-one
CID 96678081
5-(1-chloro-3,3-dimethylbutyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294244
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
CID 107293478

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine (CID 107294645) is N-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCOCCc1ccc2c(c1)C(C)(C)CO2.
What is the InChIKey of N-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine?
The InChIKey is MCRFAHXRBCNTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-17(2,3)19-9-11-20-10-8-14-6-7-16-15(12-14)18(4,5)13-21-16/h6-7,12,19H,8-11,13H2,1-5H3.
What are the key properties of N-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine?
N-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107294645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).